Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.55 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 8/20 | 0.52 |
| ▸ | RAB9A | P51151 | 8/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MGLL | Q99685 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL475666 | 0.90 | MCHR1 (0.58) | MCHR1KDM5BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3645315 | 0.88 | MCHR1 (0.56) | MCHR1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4747063 | 0.82 | KDM5B (0.56) | KDM5BNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4749720 | 0.81 | TP53 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL3646617 | 0.80 | BACE1 (0.66) | BACE1BACE2 | |
| SCHEMBL3348673 | 0.80 | RAB9A (0.65) | KDM5BNPC1RAB9ASMN1; SMN2MGLL | |
| SCHEMBL3644965 | 0.80 | BACE1 (0.67) | BACE1BACE2 | |
| SCHEMBL3646488 | 0.80 | LMNA (0.55) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL3643931 | 0.79 | CA1 (0.59) | NPC1RAB9ABACE1 | |
| SCHEMBL475760 | 0.79 | KDM4E (0.56) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1871739-A1 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006110668-A1 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2006-10-19 | — | — | WO | disclosed |